CID 75481576

N-methoxy-n-methylthiane-4-carboxamide

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CN(C(=O)C1CCSCC1)OC
InChI
InChI=1S/C8H15NO2S/c1-9(11-2)8(10)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3
InChIKey
JICXQBVSROKJLD-UHFFFAOYSA-N
Compound name
N-methoxy-N-methylthiane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

189.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 141.0
[M+Na]+ 212.071568 145.0
[M-H]- 188.075074 145.1
[M+NH4]+ 207.116173 161.1
[M+K]+ 228.045508 145.3
[M+H-H2O]+ 172.079610 134.7
[M+HCOO]- 234.080551 157.2
[M+CH3COO]- 248.096201 184.9
[M+Na-2H]- 210.057016 142.1
[M]+ 189.08180142 140.4
[M]- 189.08289858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe